[ { "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" ] } "a" { "source-value" 4.350019857287407 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.350019857287407e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-3m" } "temperature" { "source-value" 0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "c11" { "source-value" 6.247484980608867 "source-unit" "GPa" "source-std-uncert-value" 0.007335930724818328 "si-unit" "kg / m s^2" "si-value" 6247484980.608867 } "c12" { "source-value" 15.875538202410594 "source-unit" "GPa" "source-std-uncert-value" 0.005187286361844875 "si-unit" "kg / m s^2" "si-value" 15875538202.41059 } "c44" { "source-value" 10.571434230705535 "source-unit" "GPa" "source-std-uncert-value" 0.0018339826812192584 "si-unit" "kg / m s^2" "si-value" 10571434230.70553 } "excess" { "source-value" 4.0708177569598036e-10 "source-unit" "GPa" "source-std-uncert-value" 0.0025936431809132944 "si-unit" "kg / m s^2" "si-value" 0.4070817756959804 } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "instance-id" 2 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" ] } "a" { "source-value" 4.350019857287407 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.350019857287407e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "space-group" { "source-value" "Fm-3m" } "temperature" { "source-value" 0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } "isothermal-bulk-modulus" { "source-value" 12.666187128476682 "source-unit" "GPa" "source-std-uncert-value" 0.004235401578736345 "si-unit" "kg / m s^2" "si-value" 12666187128.47668 } } ]